3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide

C14H17Br2NO — CID 113274839

IUPAC3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC1(CBr)CCCC1
InChIInChI=1S/C14H17Br2NO/c1-10-11(5-4-6-12(10)16)13(18)17-14(9-15)7-2-3-8-14/h4-6H,2-3,7-9H2,1H3,(H,17,18)
InChIKeyLYUNSQYYMWRADK-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.20
Rot. Bonds3

About 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide

3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide (PubChem CID 113274839) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
PubChem CID113274839
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NC1(CBr)CCCC1
InChIInChI=1S/C14H17Br2NO/c1-10-11(5-4-6-12(10)16)13(18)17-14(9-15)7-2-3-8-14/h4-6H,2-3,7-9H2,1H3,(H,17,18)
InChIKeyLYUNSQYYMWRADK-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 114314642
N-[1-(bromomethyl)cyclohexyl]-2-methylsulfanylbenzamide
CID 114313986
2-bromo-N-[4-(bromomethyl)oxan-4-yl]benzamide
CID 106304763
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
3-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114758209
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
3-bromo-N-[4-(bromomethyl)oxan-4-yl]-2-fluorobenzamide
CID 114171044
2,4-dibromo-N-[1-(bromomethyl)cyclobutyl]benzamide
CID 107941451
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
3-bromo-N-[1-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 107956670
N-[1-(bromomethyl)cyclohexyl]quinoline-8-carboxamide
CID 114314027
4-bromo-N-[1-(bromomethyl)cyclobutyl]thiophene-3-carboxamide
CID 164647494

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide (CID 113274839) is 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NC1(CBr)CCCC1.
What is the InChIKey of 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide?
The InChIKey is LYUNSQYYMWRADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-10-11(5-4-6-12(10)16)13(18)17-14(9-15)7-2-3-8-14/h4-6H,2-3,7-9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide?
3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide has a molecular weight of 375.10 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(bromomethyl)cyclopentyl]-2-methylbenzamide is sourced from PubChem (CID 113274839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).